N-[1-amino-3-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]tetradecanamide

C33H54N2O2Si — CID 20578439

IUPACN-[1-amino-3-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]tetradecanamide
SMILESCCCCCCCCCCCCCC(=O)NC(CN)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C33H54N2O2Si/c1-5-6-7-8-9-10-11-12-13-14-21-26-32(36)35-29(27-34)28-37-38(33(2,3)4,30-22-17-15-18-23-30)31-24-19-16-20-25-31/h15-20,22-25,29H,5-14,21,26-28,34H2,1-4H3,(H,35,36)
InChIKeyADPNYPMETFTKSX-UHFFFAOYSA-N
MW538.89 g/mol
LogP6.71
Rot. Bonds19

About N-[1-amino-3-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]tetradecanamide

N-[1-amino-3-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]tetradecanamide (PubChem CID 20578439) has the molecular formula C33H54N2O2Si and a molecular weight of 538.89 g/mol. Its IUPAC name is N-[1-amino-3-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]tetradecanamide.

Molecular Properties

Compound NameN-[1-amino-3-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]tetradecanamide
PubChem CID20578439
Molecular FormulaC33H54N2O2Si
Molecular Weight538.89 g/mol
Exact Mass538.40
IUPAC NameN-[1-amino-3-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]tetradecanamide
SMILESCCCCCCCCCCCCCC(=O)NC(CN)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C33H54N2O2Si/c1-5-6-7-8-9-10-11-12-13-14-21-26-32(36)35-29(27-34)28-37-38(33(2,3)4,30-22-17-15-18-23-30)31-24-19-16-20-25-31/h15-20,22-25,29H,5-14,21,26-28,34H2,1-4H3,(H,35,36)
InChIKeyADPNYPMETFTKSX-UHFFFAOYSA-N
XLogP6.71
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.89
LogP ≤ 56.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze N-[1-amino-3-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]tetradecanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(E,2S,3R)-1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxyoctadec-4-en-2-yl]hexadecanamide
CID 14035022
N-[(2R,3R)-3-(benzylamino)-1-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]heptanamide
CID 54006527
N-[1-[[[(1,1-dimethylethyl)dimethylsilyl]oxy]methyl]-2-[(phenylmethyl)amino]propyl]Heptanamide
CID 54006528
N-[1-[[[(1,1-Dimethylethyl)diphenylsilyl]oxy]methyl]-2-hydroxybutyl]Heptanamide
CID 54199636
N-[(2S,3R)-3-(benzylamino)-1-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]heptanamide
CID 57028743
N-[(2S,3R)-1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxypentan-2-yl]heptanamide
CID 57070793
N-[(2R,3S)-1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxypentan-2-yl]heptanamide
CID 57206099
N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-[[(3R)-3-hydroxydecyl]-methylamino]propan-2-yl]tetradecanamide
CID 57757067
[(3R)-1-[[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-(tetradecanoylamino)propyl]-methylamino]decan-3-yl] dodecanoate
CID 57757096
N-[(E,2S,3R)-3-[tert-butyl(diphenyl)silyl]oxy-1-hydroxyoctadec-4-en-2-yl]hexadecanamide
CID 57978525
[(3R)-1-[acetyl-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-(tetradecanoylamino)propyl]amino]decan-3-yl] dodecanoate
CID 59055074
N-[(2R)-1-azido-3-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]tetradecanamide
CID 59055079

Frequently Asked Questions

What is the IUPAC name of N-[1-amino-3-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]tetradecanamide?
The IUPAC name of N-[1-amino-3-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]tetradecanamide (CID 20578439) is N-[1-amino-3-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]tetradecanamide.
What is the SMILES notation for N-[1-amino-3-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]tetradecanamide?
The canonical SMILES for N-[1-amino-3-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]tetradecanamide is CCCCCCCCCCCCCC(=O)NC(CN)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of N-[1-amino-3-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]tetradecanamide?
The InChIKey is ADPNYPMETFTKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H54N2O2Si/c1-5-6-7-8-9-10-11-12-13-14-21-26-32(36)35-29(27-34)28-37-38(33(2,3)4,30-22-17-15-18-23-30)31-24-19-16-20-25-31/h15-20,22-25,29H,5-14,21,26-28,34H2,1-4H3,(H,35,36).
What are the key properties of N-[1-amino-3-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]tetradecanamide?
N-[1-amino-3-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]tetradecanamide has a molecular weight of 538.89 g/mol, XLogP of 6.71, 19 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-amino-3-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]tetradecanamide is sourced from PubChem (CID 20578439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).